Compile Data Set for Download or QSAR

Found 189 hits Enz. Inhib. hit(s) with all data for entry = 50046252   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bifunctional protein GlmU (Escherichia coli)	BDBM50102673 (CHEMBL3341771) Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102663 (CHEMBL3343037) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO Show InChI InChI=1S/C24H22N4O4/c1-31-21-13-19-20(14-22(21)32-12-11-29)25-15-26-23(19)27-17-7-9-18(10-8-17)28-24(30)16-5-3-2-4-6-16/h2-10,13-15,29H,11-12H2,1H3,(H,28,30)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102677 (CHEMBL3343057) Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102665 (CHEMBL3343039) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O Show InChI InChI=1S/C24H21N5O4/c1-32-20-11-18-19(12-21(20)33-13-22(25)30)26-14-27-23(18)28-16-7-9-17(10-8-16)29-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102714 (CHEMBL3343050) Show SMILES COc1cc(cc(c1O)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O6/c1-35-20-12-15(11-18(21(20)30)19-13-26-25(34)29-24(19)33)23(32)28-17-9-7-16(8-10-17)27-22(31)14-5-3-2-4-6-14/h2-13,30H,1H3,(H,27,31)(H,28,32)(H2,26,29,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102661 (CHEMBL3343033) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	275	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102674 (CHEMBL3343051) Show SMILES O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102681 (CHEMBL3343041) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(Cl)nc2cc1O Show InChI InChI=1S/C22H17ClN4O3/c1-30-19-11-16-17(12-18(19)28)26-22(23)27-20(16)24-14-7-9-15(10-8-14)25-21(29)13-5-3-2-4-6-13/h2-12,28H,1H3,(H,25,29)(H,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102667 (CHEMBL3343042) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O Show InChI InChI=1S/C29H26N6O3/c1-38-26-17-23-24(18-25(26)36)34-29(31-16-14-20-9-5-6-15-30-20)35-27(23)32-21-10-12-22(13-11-21)33-28(37)19-7-3-2-4-8-19/h2-13,15,17-18,36H,14,16H2,1H3,(H,33,37)(H2,31,32,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	579	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102667 (CHEMBL3343042) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O Show InChI InChI=1S/C29H26N6O3/c1-38-26-17-23-24(18-25(26)36)34-29(31-16-14-20-9-5-6-15-30-20)35-27(23)32-21-10-12-22(13-11-21)33-28(37)19-7-3-2-4-8-19/h2-13,15,17-18,36H,14,16H2,1H3,(H,33,37)(H2,31,32,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102664 (CHEMBL3343038) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O Show InChI InChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	689	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102678 (CHEMBL3343058) Show SMILES CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C21H21N5O5/c1-3-22-20(29)25-15-6-4-14(5-7-15)24-18(27)13-8-12(9-16(10-13)31-2)17-11-23-21(30)26-19(17)28/h4-11H,3H2,1-2H3,(H,24,27)(H2,22,25,29)(H2,23,26,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102661 (CHEMBL3343033) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1O Show InChI InChI=1S/C22H18N4O3/c1-29-20-11-17-18(12-19(20)27)23-13-24-21(17)25-15-7-9-16(10-8-15)26-22(28)14-5-3-2-4-6-14/h2-13,27H,1H3,(H,26,28)(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102676 (CHEMBL3343055) Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102662 (CHEMBL3343034) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O Show InChI InChI=1S/C23H20N4O3/c1-14-24-19-13-20(28)21(30-2)12-18(19)22(25-14)26-16-8-10-17(11-9-16)27-23(29)15-6-4-3-5-7-15/h3-13,28H,1-2H3,(H,27,29)(H,24,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102679 (CHEMBL3343035) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(nc2cc1O)-c1ccccn1 Show InChI InChI=1S/C27H21N5O3/c1-35-24-15-20-22(16-23(24)33)31-26(21-9-5-6-14-28-21)32-25(20)29-18-10-12-19(13-11-18)30-27(34)17-7-3-2-4-8-17/h2-16,33H,1H3,(H,30,34)(H,29,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102669 (CHEMBL3343045) Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102725 (CHEMBL3343056) Show SMILES COc1cc(cc(c1)-c1cnc(=O)[nH]c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C24H19N5O4/c1-33-20-11-15(17-13-26-24(32)27-14-17)10-16(12-20)22(30)28-18-5-7-19(8-6-18)29-23(31)21-4-2-3-9-25-21/h2-14H,1H3,(H,28,30)(H,29,31)(H,26,27,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102682 (CHEMBL3343043) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCCn3ccnc3)nc2cc1O Show InChI InChI=1S/C28H27N7O3/c1-38-25-16-22-23(17-24(25)36)33-28(30-12-5-14-35-15-13-29-18-35)34-26(22)31-20-8-10-21(11-9-20)32-27(37)19-6-3-2-4-7-19/h2-4,6-11,13,15-18,36H,5,12,14H2,1H3,(H,32,37)(H2,30,31,33,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102680 (CHEMBL3343036) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(Cc3ccccc3)nc2cc1O Show InChI InChI=1S/C29H24N4O3/c1-36-26-17-23-24(18-25(26)34)32-27(16-19-8-4-2-5-9-19)33-28(23)30-21-12-14-22(15-13-21)31-29(35)20-10-6-3-7-11-20/h2-15,17-18,34H,16H2,1H3,(H,31,35)(H,30,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102671 (CHEMBL3343047) Show SMILES COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O Show InChI InChI=1S/C21H19N3O4/c1-28-19-11-16(17(22)12-18(19)25)21(27)24-15-9-7-14(8-10-15)23-20(26)13-5-3-2-4-6-13/h2-12,25H,22H2,1H3,(H,23,26)(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102668 (CHEMBL3343044) Show SMILES COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C20H17N3O4/c1-27-18-12-13(5-10-17(18)24)19(25)22-14-6-8-15(9-7-14)23-20(26)16-4-2-3-11-21-16/h2-12,24H,1H3,(H,22,25)(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102664 (CHEMBL3343038) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O Show InChI InChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102674 (CHEMBL3343051) Show SMILES O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102668 (CHEMBL3343044) Show SMILES COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C20H17N3O4/c1-27-18-12-13(5-10-17(18)24)19(25)22-14-6-8-15(9-7-14)23-20(26)16-4-2-3-11-21-16/h2-12,24H,1H3,(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102666 (CHEMBL3343040) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O Show InChI InChI=1S/C22H19N5O3/c1-30-19-11-16-17(12-18(19)28)26-22(23)27-20(16)24-14-7-9-15(10-8-14)25-21(29)13-5-3-2-4-6-13/h2-12,28H,1H3,(H,25,29)(H3,23,24,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102676 (CHEMBL3343055) Show SMILES COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O Show InChI InChI=1S/C24H21N5O5/c1-34-19-13-15(12-18(14-19)29-11-9-21(30)28-24(29)33)22(31)26-16-5-7-17(8-6-16)27-23(32)20-4-2-3-10-25-20/h2-8,10,12-14H,9,11H2,1H3,(H,26,31)(H,27,32)(H,28,30,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102670 (CHEMBL3343046) Show SMILES COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O4/c1-27-19-13-15(7-12-18(19)24)21(26)23-17-10-8-16(9-11-17)22-20(25)14-5-3-2-4-6-14/h2-13,24H,1H3,(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102678 (CHEMBL3343058) Show SMILES CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1 Show InChI InChI=1S/C21H21N5O5/c1-3-22-20(29)25-15-6-4-14(5-7-15)24-18(27)13-8-12(9-16(10-13)31-2)17-11-23-21(30)26-19(17)28/h4-11H,3H2,1-2H3,(H,24,27)(H2,22,25,29)(H2,23,26,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102719 (CHEMBL3343053) Show SMILES COc1cc(cc(c1)-c1nn[nH]n1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C21H17N7O3/c1-31-17-11-13(19-25-27-28-26-19)10-14(12-17)20(29)23-15-5-7-16(8-6-15)24-21(30)18-4-2-3-9-22-18/h2-12H,1H3,(H,23,29)(H,24,30)(H,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102720 (CHEMBL3343054) Show SMILES COc1cc(cc(c1)-c1nc(=O)o[nH]1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C22H17N5O5/c1-31-17-11-13(19-26-22(30)32-27-19)10-14(12-17)20(28)24-15-5-7-16(8-6-15)25-21(29)18-4-2-3-9-23-18/h2-12H,1H3,(H,24,28)(H,25,29)(H,26,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102675 (CHEMBL3343052) Show SMILES COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C24H19N5O5/c1-34-20-10-5-14(12-17(20)18-13-26-24(33)29-22(18)31)21(30)27-15-6-8-16(9-7-15)28-23(32)19-4-2-3-11-25-19/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102709 (CHEMBL3343049) Show SMILES COc1cc(ccc1OCC(N)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H21N3O5/c1-30-20-13-16(7-12-19(20)31-14-21(24)27)23(29)26-18-10-8-17(9-11-18)25-22(28)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H2,24,27)(H,25,28)(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Bifunctional protein GlmU (Escherichia coli)	BDBM50102665 (CHEMBL3343039) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O Show InChI InChI=1S/C24H21N5O4/c1-32-20-11-18-19(12-21(20)33-13-22(25)30)26-14-27-23(18)28-16-7-9-17(10-8-16)29-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Escherichia coli ATCC 27325 GlmU expressed in Escherichia coli HMS174(DE3) incubated for 15 mins prior to MgCl2 addition measured after...				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50102669 (CHEMBL3343045) Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human AURKB incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102663 (CHEMBL3343037) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO Show InChI InChI=1S/C24H22N4O4/c1-31-21-13-19-20(14-22(21)32-12-11-29)25-15-26-23(19)27-17-7-9-18(10-8-17)28-24(30)16-5-3-2-4-6-16/h2-10,13-15,29H,11-12H2,1H3,(H,28,30)(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102666 (CHEMBL3343040) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O Show InChI InChI=1S/C22H19N5O3/c1-30-19-11-16-17(12-18(19)28)26-22(23)27-20(16)24-14-7-9-15(10-8-14)25-21(29)13-5-3-2-4-6-13/h2-12,28H,1H3,(H,25,29)(H3,23,24,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102668 (CHEMBL3343044) Show SMILES COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C20H17N3O4/c1-27-18-12-13(5-10-17(18)24)19(25)22-14-6-8-15(9-7-14)23-20(26)16-4-2-3-11-21-16/h2-12,24H,1H3,(H,22,25)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102669 (CHEMBL3343045) Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102670 (CHEMBL3343046) Show SMILES COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C21H18N2O4/c1-27-19-13-15(7-12-18(19)24)21(26)23-17-10-8-16(9-11-17)22-20(25)14-5-3-2-4-6-14/h2-13,24H,1H3,(H,22,25)(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102671 (CHEMBL3343047) Show SMILES COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O Show InChI InChI=1S/C21H19N3O4/c1-28-19-11-16(17(22)12-18(19)25)21(27)24-15-9-7-14(8-10-15)23-20(26)13-5-3-2-4-6-13/h2-12,25H,22H2,1H3,(H,23,26)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102672 (CHEMBL3343048) Show SMILES COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C23H20N2O6/c1-30-20-13-16(7-12-19(20)31-14-21(26)27)23(29)25-18-10-8-17(9-11-18)24-22(28)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,24,28)(H,25,29)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102673 (CHEMBL3341771) Show SMILES COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C24H19N5O5/c1-34-18-11-14(19-13-26-24(33)29-22(19)31)10-15(12-18)21(30)27-16-5-7-17(8-6-16)28-23(32)20-4-2-3-9-25-20/h2-13H,1H3,(H,27,30)(H,28,32)(H2,26,29,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Interleukin-1 receptor-associated kinase 4 (Homo sapiens (Human))	BDBM50102674 (CHEMBL3343051) Show SMILES O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human IRAK4 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50102664 (CHEMBL3343038) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(O)=O Show InChI InChI=1S/C24H20N4O5/c1-32-20-11-18-19(12-21(20)33-13-22(29)30)25-14-26-23(18)27-16-7-9-17(10-8-16)28-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H,28,31)(H,29,30)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50102665 (CHEMBL3343039) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O Show InChI InChI=1S/C24H21N5O4/c1-32-20-11-18-19(12-21(20)33-13-22(25)30)26-14-27-23(18)28-16-7-9-17(10-8-16)29-24(31)15-5-3-2-4-6-15/h2-12,14H,13H2,1H3,(H2,25,30)(H,29,31)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50102666 (CHEMBL3343040) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O Show InChI InChI=1S/C22H19N5O3/c1-30-19-11-16-17(12-18(19)28)26-22(23)27-20(16)24-14-7-9-15(10-8-14)25-21(29)13-5-3-2-4-6-13/h2-12,28H,1H3,(H,25,29)(H3,23,24,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50102667 (CHEMBL3343042) Show SMILES COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O Show InChI InChI=1S/C29H26N6O3/c1-38-26-17-23-24(18-25(26)36)34-29(31-16-14-20-9-5-6-15-30-20)35-27(23)32-21-10-12-22(13-11-21)33-28(37)19-7-3-2-4-8-19/h2-13,15,17-18,36H,14,16H2,1H3,(H,33,37)(H2,31,32,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50102668 (CHEMBL3343044) Show SMILES COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C20H17N3O4/c1-27-18-12-13(5-10-17(18)24)19(25)22-14-6-8-15(9-7-14)23-20(26)16-4-2-3-11-21-16/h2-12,24H,1H3,(H,22,25)(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50102669 (CHEMBL3343045) Show SMILES Oc1ccc(cc1[N+]([O-])=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 Show InChI InChI=1S/C19H14N4O5/c24-17-9-4-12(11-16(17)23(27)28)18(25)21-13-5-7-14(8-6-13)22-19(26)15-3-1-2-10-20-15/h1-11,24H,(H,21,25)(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human JAK1 incubated for 20 mins prior to MgCl2 addition measured after 90 mins by mobility shift assay				Bioorg Med Chem 22: 6256-69 (2014) Article DOI: 10.1016/j.bmc.2014.08.017 BindingDB Entry DOI: 10.7270/Q2SN0BR9
					More data for this Ligand-Target Pair

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